CID 6410673

87540-71-4

Structural Information

Molecular Formula
C15H10N4S
SMILES
C1=CC=C(C=C1)C2=NN3C(=NNC3=S)C4=CC=CC=C42
InChI
InChI=1S/C15H10N4S/c20-15-17-16-14-12-9-5-4-8-11(12)13(18-19(14)15)10-6-2-1-3-7-10/h1-9H,(H,17,20)
InChIKey
HQTKRFAZCJOEDF-UHFFFAOYSA-N
Compound name
6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

278.06262 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06990 160.6
[M+Na]+ 301.05184 174.4
[M-H]- 277.05534 164.1
[M+NH4]+ 296.09644 175.6
[M+K]+ 317.02578 165.8
[M+H-H2O]+ 261.05988 152.3
[M+HCOO]- 323.06082 175.2
[M+CH3COO]- 337.07647 172.5
[M+Na-2H]- 299.03729 166.6
[M]+ 278.06207 163.2
[M]- 278.06317 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe